SCHEMBL17813909

SCHEMBL17813909

COc1cc(N=Nc2ccc3ccccc3c2S(=O)(=O)O)c(C)cc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 5/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ENPP2 Q13822 2/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17813982 0.91 — —
SCHEMBL17813976 0.90 ATIC (0.34) RAD52ENPP2ALKMAPT
SCHEMBL17813912 0.86 ENPP2 (0.38) MEN1KMT2AENPP2ALK
SCHEMBL17813898 0.85 SENP2 (0.35) RAD52POLBMEN1KMT2AENPP2
SCHEMBL17813973 0.84 ATIC (0.40) POLBMEN1KMT2AENPP2ALDH1A1
SCHEMBL17814018 0.84 ENPP2 (0.38) MEN1KMT2AENPP2ALK
SCHEMBL3656757 0.83 SENP2 (0.45) RAD52ENPP2ALKMAPT
SCHEMBL14408044 0.83 SENP2 (0.45) RAD52ENPP2ALKMAPT
SCHEMBL17814026 0.82 ENPP2 (0.43) POLBENPP2ALDH1A1MAPT
SCHEMBL17813983 0.81 ENPP2 (0.46) ENPP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 — — US disclosed
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